3-bromo-1,2-bis(ethenyl)dibenzofuran

C16H11BrO — CID 145377478

IUPAC3-bromo-1,2-bis(ethenyl)dibenzofuran
SMILESC=Cc1c(Br)cc2oc3ccccc3c2c1C=C
InChIInChI=1S/C16H11BrO/c1-3-10-11(4-2)16-12-7-5-6-8-14(12)18-15(16)9-13(10)17/h3-9H,1-2H2
InChIKeyPNHYZIKOZOGWHR-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.63
Rot. Bonds2

About 3-bromo-1,2-bis(ethenyl)dibenzofuran

3-bromo-1,2-bis(ethenyl)dibenzofuran (PubChem CID 145377478) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-bromo-1,2-bis(ethenyl)dibenzofuran.

Molecular Properties

Compound Name3-bromo-1,2-bis(ethenyl)dibenzofuran
PubChem CID145377478
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name3-bromo-1,2-bis(ethenyl)dibenzofuran
SMILESC=Cc1c(Br)cc2oc3ccccc3c2c1C=C
InChIInChI=1S/C16H11BrO/c1-3-10-11(4-2)16-12-7-5-6-8-14(12)18-15(16)9-13(10)17/h3-9H,1-2H2
InChIKeyPNHYZIKOZOGWHR-UHFFFAOYSA-N
XLogP5.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.17
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-1,2-bis(ethenyl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-bis(ethenyl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 166096190
12-bromo-7H-[1]benzofuro[2,3-b]carbazole
CID 146019056
7-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]-5,6-bis(ethenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 155721775
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
10-bromo-13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 154600229
3-bromo-2-chlorodibenzofuran
CID 154949827
3-bromo-1-methylsulfanyldibenzofuran
CID 19887832
2-bromo-1-phenyldibenzofuran
CID 138481410
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 142357775
14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 142363423
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
CID 145373970

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2-bis(ethenyl)dibenzofuran?
The IUPAC name of 3-bromo-1,2-bis(ethenyl)dibenzofuran (CID 145377478) is 3-bromo-1,2-bis(ethenyl)dibenzofuran.
What is the SMILES notation for 3-bromo-1,2-bis(ethenyl)dibenzofuran?
The canonical SMILES for 3-bromo-1,2-bis(ethenyl)dibenzofuran is C=Cc1c(Br)cc2oc3ccccc3c2c1C=C.
What is the InChIKey of 3-bromo-1,2-bis(ethenyl)dibenzofuran?
The InChIKey is PNHYZIKOZOGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO/c1-3-10-11(4-2)16-12-7-5-6-8-14(12)18-15(16)9-13(10)17/h3-9H,1-2H2.
What are the key properties of 3-bromo-1,2-bis(ethenyl)dibenzofuran?
3-bromo-1,2-bis(ethenyl)dibenzofuran has a molecular weight of 299.17 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2-bis(ethenyl)dibenzofuran is sourced from PubChem (CID 145377478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).